6-Amino-5-bromoquinoxaline

C₈H₆BrN₃CAS 50358-63-9224.06 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₆BrN₃
Molar mass: 224.06 g/mol
Exact mass: 222.9745 Da
logP: 1.97Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation40% of notifiers
H341 Suspected of causing genetic defects20% of notifiers
H351 Suspected of causing cancer20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50358-63-9

SMILES

Nc1ccc2nccnc2c1Br

InChIKey

IRAOSCSPAYZRJE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrN3/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-4H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

6-Quinoxalinamine, 5-bromo-
5-Bromo-6-quinoxalinamine
5-Bromo-6-aminoquinoxaline
5-Bromoquinoxalin-6-amine

Work with 6-Amino-5-bromoquinoxaline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2-chloropyridin-4-amine215364-85-544 % similar 5-Bromo-quinolin-8-ylamine53472-18-741 % similar Brimonidine59803-98-440 % similar 2-Bromo-3,4-difluoroaniline1092349-87-537 % similar 1-Bromonaphthalen-2-amine20191-75-737 % similar 6-Bromoquinoxaline50998-17-936 % similar 6-Aminoquinoxaline6298-37-936 % similar 3-Amino-2-bromopyridine39856-58-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2-quinazolinamine190273-89-3 6-Bromo-4-quinazolinamine21419-48-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook